Structure

InChI Key WIKYUJGCLQQFNW-UHFFFAOYSA-N
Smiles CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChI
InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24ClN3S
Molecular Weight 373.95
AlogP 4.58
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 9.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST ISBN DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Dengue virus 2
88 - - - -
Homo sapiens
- - - - 66.5

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Related Entries

Cross References

Resources Reference
ChEBI 8435
ChEMBL CHEMBL728
DrugBank DB00433
DrugCentral 2274
FDA SRS YHP6YLT61T
Human Metabolome Database HMDB0014577
Guide to Pharmacology 7279
KEGG C07403
PDB P77
PharmGKB PA451114
PubChem 4917
SureChEMBL SCHEMBL18429
ZINC ZINC000019796018